SCHEMBL7100674

SCHEMBL7100674

C=C(C)C(=O)OCCc1cc(Cc2cc(C(C)(C)C)cc(-n3nc4ccc(Cl)cc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7026729 0.95 NPC1 (0.32) NPC1RAB9A
SCHEMBL7026741 0.93 NPC1 (0.32) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL7736905 0.91 NPC1 (0.32) NPC1RAB9A
SCHEMBL7030783 0.90 NPC1 (0.42) NPC1RAB9AKDM4EALDH1A1CYP1A2
SCHEMBL226811 0.89 NPC1 (0.31) NPC1RAB9A
SCHEMBL29372280 0.89 NPC1 (0.31) NPC1RAB9A
SCHEMBL7029552 0.88 NPC1 (0.31) NPC1RAB9AALDH1A1
SCHEMBL7736250 0.86 NPC1 (0.37) NPC1RAB9AKDM4EALDH1A1CYP1A2
SCHEMBL7030305 0.86 NPC1 (0.31) NPC1RAB9AALDH1A1
SCHEMBL7736862 0.86 TLR8 (0.33) NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0924203-B1 2,2'-BIS(6-BENZOTRIAZOLYLPHENOL) COMPOUNDS, ULTRAVIOLET ABSORBERS COMPRISING THE SAME, COPOLYMERS CONTAINING THE SAME, AND POLYMER COMPOSITIONS CONTAINING THE SAME OTSUKA CHEMICAL CO LTD (JP) 2003-02-05 EP disclosed
US-6281313-B1 2,2′BIS(6-Benzotriazolylphenol) compound, ultraviolet ray absorber comprising the compound, copolymer containing the compound and polymer composition containing the compound OTSUKA CHEMICAL CO., LTD. (JP) 2001-08-28 US disclosed
US-6084104-A FREE FROM VOLATILITY AND ELUTION PROBLEMS DURING POLYMERIZATION OR MOLDING; EXCELLENT IN ALKALI RESISTANCE, HEAT RESISTANCE; NOT COLORED WHERE ALKALIS OR METAL IONS ARE PRESENT; EXCELLENT ULTRAVIOLET ABSORPTIVITY; WEATHERING OTSUKA CHEMICAL CO., LTD. (JP) 2000-07-04 US disclosed
EP-0924203-A1 2,2'-BIS(6-BENZOTRIAZOLYLPHENOL) COMPOUNDS, ULTRAVIOLET ABSORBERS COMPRISING THE SAME, COPOLYMERS CONTAINING THE SAME, AND POLYMER COMPOSITIONS CONTAINING THE SAME OTSUKA CHEMICAL COMPANY, LIMITED (JP) 1999-06-23 EP disclosed